SCHEMBL7428456

SCHEMBL7428456

CC(C)(C)OC(=O)CN1CC(=O)N(C(S)CCc2ccccc2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.45
PLA2G5 P39877 2/20 0.45
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
ENPP2 Q13822 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
HSD17B2 P37059 1/20 0.34
ACE P12821 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SCN9A Q15858 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7428792 0.84 CYP2D6 (0.45) NPSR1ENPP2POLBACE
SCHEMBL7428452 0.81 PLA2G10 (0.45) PLA2G10PLA2G5CTSSCTSKENPP2
SCHEMBL7445702 0.81 ACHE (0.40) NPSR1ENPP2ALDH1A1KDM4EPOLB
SCHEMBL7432645 0.78 ENPP2 (0.47) NPSR1ENPP2ALDH1A1POLBSMN1; SMN2
SCHEMBL7426522 0.78 MAPT (0.43) NPSR1ENPP2ALDH1A1KDM4EPOLB
SCHEMBL7440468 0.78 POLB (0.37) NPSR1ALDH1A1POLBHSD17B2SMN1; SMN2
SCHEMBL7436003 0.76 HDAC6 (0.42) ENPP2KDM4EPOLBACESMN1; SMN2
SCHEMBL7737652 0.74 PLA2G10 (0.50) PLA2G10PLA2G5ALDH1A1KDM4EPOLB
SCHEMBL7435811 0.74 ACHE (0.41) ENPP2KDM4EPOLBHSD17B2ACE
SCHEMBL7446529 0.73 ACE (0.41) NPSR1ALDH1A1POLBACESMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640594-A1 Hydantoin derivative as metalloprotease inhibitor FUJIREBIO INC. (JP) 1995-03-01 EP disclosed